Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-66505
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Te']
  • Chemical System: Ba-Mg-Te
  • Density: 3.6382118556168597
  • Atomic Density: 0.022725518528513886
  • Unit Cell Volume: 132.01018917284006
  • Molar Volume: 26.49946469843569
  • Full Formula: Ba1 Mg1 Te1
  • Reduced Formula: BaMgTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m